Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFAVRYKITIEYNGSSFSGWQKQQHSANSIQETIENAIFNFSGEKVTLHCGGRTDAGVHALGQVAHFDMERKFELYKIRNAINYHLKSIPIVVLNAETVDNTFHSRFSAKKRYYEYRIINRYAPAALEAGYAWQVFNPLDVNIMREAAKYLLGKHNLLSFRSKDCQATNPIRTIDDIDIVQNGSHIYIKI--SAISFLHNQVRIIVGTLVEFGKSRTNPQKMLNILNQCKRNAAGVTAPPFGLYLAKIDY
1VS3 Chain:A ((3-246))
-----RLLLLCEYDGTLFAGLQRQGRGLRTVQGELERALPGI-GALPKAVAAGRTDAGVHALAMPFHVDVESAIPVEKVPEALNRLLPED-LKVVGAREVAPDFHARKDALWRAYRYRILVRPHPSPLLRHRALWVRRPLDLEAMEEALSLLLGRHNFLGFAKEETRPGERELLEARLQVAEGEAGLEVRLYFRGKSFLRGQVRGMVGTLLEVGLGKRPPESLKAILKTADRRLAGPTAPAHGLYFVEAAY
General information:
TITO was launched using:
RESULT:
Template:
1VS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137394 for 1955 contacts (-70.3/contact) +
2D Compatibility (PS) -25240 + (NN) -3839 + (LL) 432
1D Compatibility (HY) -13200 + (ID) 4200
Total energy: -183441.0 ( -93.83 by residue)
QMean score : 0.350
(partial model without unconserved sides chains):
PDB file :
Tito_1VS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VS3-query.scw
PDB file :
Tito_Scwrl_1VS3.pdb
: